N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline

C62H64N2O2 — CID 71277351

IUPACN-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(CCCOCc3ccccc3)cc2)c2ccc(CCc3ccc(N(c4ccc(CCCOCc5ccccc5)cc4)c4ccc(C)c(C)c4)cc3)cc2)cc1C
InChIInChI=1S/C62H64N2O2/c1-47-19-31-61(43-49(47)3)63(57-33-23-51(24-34-57)17-11-41-65-45-55-13-7-5-8-14-55)59-37-27-53(28-38-59)21-22-54-29-39-60(40-30-54)64(62-32-20-48(2)50(4)44-62)58-35-25-52(26-36-58)18-12-42-66-46-56-15-9-6-10-16-56/h5-10,13-16,19-20,23-40,43-44H,11-12,17-18,21-22,41-42,45-46H2,1-4H3
InChIKeyXLFGUGCXONNKRE-UHFFFAOYSA-N
MW869.21 g/mol
LogP15.94
Rot. Bonds21

About N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline

N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline (PubChem CID 71277351) has the molecular formula C62H64N2O2 and a molecular weight of 869.21 g/mol. Its IUPAC name is N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
PubChem CID71277351
Molecular FormulaC62H64N2O2
Molecular Weight869.21 g/mol
Exact Mass868.50
IUPAC NameN-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(CCCOCc3ccccc3)cc2)c2ccc(CCc3ccc(N(c4ccc(CCCOCc5ccccc5)cc4)c4ccc(C)c(C)c4)cc3)cc2)cc1C
InChIInChI=1S/C62H64N2O2/c1-47-19-31-61(43-49(47)3)63(57-33-23-51(24-34-57)17-11-41-65-45-55-13-7-5-8-14-55)59-37-27-53(28-38-59)21-22-54-29-39-60(40-30-54)64(62-32-20-48(2)50(4)44-62)58-35-25-52(26-36-58)18-12-42-66-46-56-15-9-6-10-16-56/h5-10,13-16,19-20,23-40,43-44H,11-12,17-18,21-22,41-42,45-46H2,1-4H3
InChIKeyXLFGUGCXONNKRE-UHFFFAOYSA-N
XLogP15.94
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.21
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline with MolForge

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Related Compounds

N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
N-[4-[(E)-2-[3-[(E)-2-[4-[N-(3,4-dimethylphenyl)-4-[2-[(4-ethenylphenyl)methoxy]ethyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]phenyl]-3,4-dimethylaniline
CID 89419391
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
N-[4-(2-aminoethyl)phenyl]-N-(3,4-dimethylphenyl)-3,4-dimethylaniline
CID 22900107
3-[4-[N-(3,4-dimethylphenyl)-4-[3-[(E)-pent-2-enoyl]oxypropyl]anilino]phenyl]propyl (E)-pent-2-enoate
CID 90168252
1-O-[3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl] 5-O-[2-(2-ethoxyethoxy)ethyl] 4-methyl-2-propan-2-ylpentanedioate
CID 58571411
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline?
The IUPAC name of N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline (CID 71277351) is N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline.
What is the SMILES notation for N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline?
The canonical SMILES for N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline is Cc1ccc(N(c2ccc(CCCOCc3ccccc3)cc2)c2ccc(CCc3ccc(N(c4ccc(CCCOCc5ccccc5)cc4)c4ccc(C)c(C)c4)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline?
The InChIKey is XLFGUGCXONNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64N2O2/c1-47-19-31-61(43-49(47)3)63(57-33-23-51(24-34-57)17-11-41-65-45-55-13-7-5-8-14-55)59-37-27-53(28-38-59)21-22-54-29-39-60(40-30-54)64(62-32-20-48(2)50(4)44-62)58-35-25-52(26-36-58)18-12-42-66-46-56-15-9-6-10-16-56/h5-10,13-16,19-20,23-40,43-44H,11-12,17-18,21-22,41-42,45-46H2,1-4H3.
What are the key properties of N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline?
N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline has a molecular weight of 869.21 g/mol, XLogP of 15.94, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline is sourced from PubChem (CID 71277351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).